3'-O-Methylviolanone

Properties Image MNX_ID MNXM35958 reference lipidmapsM:LMPK12050469 formula C18H18O6 global charge 0 mol weight 330.336 InChIKey IFIRIIBDWLSFFH-UHFFFAOYSA-N InChI InChI=1S/C18H18O6/c1-21-14-7-6-11(17(22-2)18(14)23-3)13-9-24-15-8-10(19)4-5-12(15)16(13)20/h4-8,13,19H,9H2,1-3H3 SMILES COC1=CC=C(C2COC3=C(C=CC(O)=C3)C2=O)C(OC)=C1OC MNX internals InChI (mnx) InChI=1/C18H18O6/c1-21-14-7-6-11(17(22-2)18(14)23-3)13-9-24-15-8-10(19)4-5-12(15)16(13)20/h4-8,13,19H,9H2,1-3H3/t13? SMILES (mnx) [CH3:1][O:21][C:14]1=[C:18]([O:23][CH3:3])[C:17]([O:22][CH3:2])=[C:11]([CH:13]2[CH2:9][O:24][C:15]3=[C:12]([CH:5]=[CH:4][C:10]([OH:19])=[CH:8]3)[C:16]2=[O:20])[CH:6]=[CH:7]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0